SCHEMBL23780252

SCHEMBL23780252

COC1(OC)C=C(c2ccccc2)C(=O)O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.39
PDE4B Q07343 2/20 0.38
HK2 P52789 1/20 0.35
PTPN1 P18031 2/20 0.34
SIGMAR1 Q99720 4/20 0.33
MITF O75030 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
FGFR1 P11362 1/20 0.33
SRC P12931 1/20 0.33
FGFR2 P21802 1/20 0.33
FGFR4 P22455 1/20 0.33
FGFR3 P22607 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
DRD2 P14416 1/20 0.32
PDGFRA P16234 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9642314 0.74 BACE1 (0.46) BACE1HK2PTPN1SIGMAR1ALDH1A1
SCHEMBL9235508 0.64 SIGMAR1 (0.47) BACE1HK2SIGMAR1ALDH1A1MAPT
SCHEMBL8834868 0.59 ALDH1A1 (0.42) BACE1HK2PTPN1SIGMAR1ALDH1A1
Biphenyl SCHEMBL3908169 0.59 ALDH1A1 (0.69) PDE4BALDH1A1MAPT
Biphenyl SCHEMBL28881047 0.59 ALDH1A1 (0.69) PDE4BALDH1A1MAPT
Biphenyl SCHEMBL6364305 0.59 ALDH1A1 (0.69) ALDH1A1
Biphenyl SCHEMBL9139034 0.57 ALDH1A1 (0.64) PDE4BALDH1A1MAPT
Biphenyl SCHEMBL18139126 0.57 ALDH1A1 (0.64) PDE4BALDH1A1MAPT
SCHEMBL221295 0.56 BACE1 (0.65) BACE1PDE4BHK2PTPN1ALDH1A1
SCHEMBL5531506 0.56 BACE1 (0.64) BACE1PDE4BPTPN1ALDH1A1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12146035-B2 Oscillatory gels UNIVERSITY OF NEWCASTLE UPON TYNE (GB) 2024-11-19 US disclosed
WO-2024079486-A1 COMPOSITE MATERIAL UNIVERSITY OF NEWCASTLE UPON TYNE (GB) 2024-04-18 WO disclosed
US-20210277190-A1 OSCILLATORY GELS UNIVERSITY OF NEWCASTLE UPON TYNE (GB) 2021-09-09 US disclosed
US-20210277190-A1 OSCILLATORY GELS UNIVERSITY OF NEWCASTLE UPON TYNE (GB) 2021-09-09 US disclosed